Geometry & MOs

Info

ID:

111334

PubChem CID:

50362426

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

611.21072

ΔHf, kcal/mol:

-208.26

Dipole, Da:

9.08

IP(EA), eV:

 -8.8(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-bromoanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC)C(=O)N5CCCCC5

DOS

IR

Vibrations